1.0 2010-04-08 22:09:07 UTC 2018-05-28 23:28:02 UTC FDB010440 Valeraldehyde dibutyl acetal It is used as a food additive . C13H28O2 216.3602 216.20893014 1,1-dibutoxypentane 1,1-dibutoxypentane 13112-65-7 CCCCOC(CCCC)OCCCC InChI=1S/C13H28O2/c1-4-7-10-13(14-11-8-5-2)15-12-9-6-3/h13H,4-12H2,1-3H3 LDJYPEMHNQONGS-UHFFFAOYSA-N belongs to the class of organic compounds known as acetals. Acetals are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups. Acetals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic acyclic compounds Hydrocarbon derivatives Acetal Aliphatic acyclic compound Hydrocarbon derivative logp 4.20 ALOGPS logs -4.36 ALOGPS solubility 9.38e-03 g/l ALOGPS logp 4.59 ChemAxon pka_strongest_basic -4 ChemAxon iupac 1,1-dibutoxypentane ChemAxon average_mass 216.3602 ChemAxon mono_mass 216.20893014 ChemAxon smiles CCCCOC(CCCC)OCCCC ChemAxon formula C13H28O2 ChemAxon inchi InChI=1S/C13H28O2/c1-4-7-10-13(14-11-8-5-2)15-12-9-6-3/h13H,4-12H2,1-3H3 ChemAxon inchikey LDJYPEMHNQONGS-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 65.13 ChemAxon polarizability 28.41 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12895 Specdb::CMs 29204 Specdb::CMs 101159 Specdb::CMs 135364 Specdb::CMs 143098 Specdb::MsMs 86109 Specdb::MsMs 86110 Specdb::MsMs 86111 Specdb::MsMs 148356 Specdb::MsMs 148357 Specdb::MsMs 148358 Specdb::MsMs 3055274 Specdb::MsMs 3055275 Specdb::MsMs 3055276 Specdb::MsMs 3111707 Specdb::MsMs 3111708 Specdb::MsMs 3111709 HMDB32550 #<Reference:0x000055ce32405820> nutty sweet